5-chloranyl-N-[4-methoxy-3-[(phenylmethylidene)amino]phenyl]-2,4-dinitro-aniline

Systemtic Name: 5-chloranyl-N-[4-methoxy-3-[(phenylmethylidene)amino]phenyl]-2,4-dinitro-aniline Openeye Name: N-[3-(benzylideneamino)-4-methoxy-phenyl]-5-chloro-2,4-dinitro-aniline CAS Name: 5-chloro-N-[4-methoxy-3-[(phenylmethylene)amino]phenyl]-2,4-dinitroaniline IUPAC Name: N-[3-(benzylideneamino)-4-methoxyphenyl]-5-chloro-2,4-dinitroaniline Traditional Name: [3-(benzalamino)-4-methoxy-phenyl]-(5-chloro-2,4-dinitro-phenyl)amine Formula: C20H15ClN4O5 MolecularWeight: 426.8099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)N=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)N=CC3=CC=CC=C3

InChI

InChI=1S/C20H15ClN4O5/c1-30-20-8-7-14(9-17(20)22-12-13-5-3-2-4-6-13)23-16-10-15(21)18(24(26)27)11-19(16)25(28)29/h2-12,23H,1H3